3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile

C12H10ClN3O2S — CID 133347080

IUPAC3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C12H10ClN3O2S/c13-11-8(6-14)12(19-15-11)16-3-5-18-10(7-16)9-2-1-4-17-9/h1-2,4,10H,3,5,7H2
InChIKeySBHBWVJMLZZXCO-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.84
Rot. Bonds2

About 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 133347080) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile
PubChem CID133347080
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCOC(c2ccco2)C1
InChIInChI=1S/C12H10ClN3O2S/c13-11-8(6-14)12(19-15-11)16-3-5-18-10(7-16)9-2-1-4-17-9/h1-2,4,10H,3,5,7H2
InChIKeySBHBWVJMLZZXCO-UHFFFAOYSA-N
XLogP2.84
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 133347329
3-chloro-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2-thiazole-4-carbonitrile
CID 47279516
2-(furan-2-yl)-4-(6-methylsulfanylpyridazin-3-yl)morpholine
CID 133347260
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
6-[2-(furan-2-yl)morpholin-4-yl]pyridazine-3-carboxamide
CID 133347306
2-(furan-2-yl)-4-(6-propan-2-yloxypyrazin-2-yl)morpholine
CID 133485950
7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133347027
3-chloro-5-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133363067
3-chloro-5-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133349632
4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine
CID 119052045
[4-[[2-(furan-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 110009262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile (CID 133347080) is 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N1CCOC(c2ccco2)C1.
What is the InChIKey of 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is SBHBWVJMLZZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-11-8(6-14)12(19-15-11)16-3-5-18-10(7-16)9-2-1-4-17-9/h1-2,4,10H,3,5,7H2.
What are the key properties of 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 295.75 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133347080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).